CID 16780021

6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H8N2O2S
SMILES
CCOC1=C(N2C=CSC2=N1)C=O
InChI
InChI=1S/C8H8N2O2S/c1-2-12-7-6(5-11)10-3-4-13-8(10)9-7/h3-5H,2H2,1H3
InChIKey
BMPZBUUWHLTNEI-UHFFFAOYSA-N
Compound name
6-ethoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.03065 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.037926 138.6
[M+Na]+ 219.019868 151.6
[M-H]- 195.023374 142.4
[M+NH4]+ 214.064473 161.4
[M+K]+ 234.993808 149.4
[M+H-H2O]+ 179.027910 133.2
[M+HCOO]- 241.028851 159.5
[M+CH3COO]- 255.044501 180.5
[M+Na-2H]- 217.005316 141.5
[M]+ 196.03010142 146.6
[M]- 196.03119858 146.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.